Before running the calculation visualizing the structure is extremely important. Try using XCrysden to visualize the structure which you made. And some basic info you will find on MIT-OCW Atomistic material modelling lectures to prepare a QE input file. Below is the link.<div>
<a href="http://ocw.mit.edu/courses/materials-science-and-engineering/3-320-atomistic-computer-modeling-of-materials-sma-5107-spring-2005/">http://ocw.mit.edu/courses/materials-science-and-engineering/3-320-atomistic-computer-modeling-of-materials-sma-5107-spring-2005/</a></div>
<div>And please sign your affiliation while writing to this forum so that we know whom we are interacting with.<br><br><div class="gmail_quote">On Thu, Oct 20, 2011 at 8:51 AM, Gulcin Kucukdalyan <span dir="ltr"><<a href="mailto:gkucukdalyan@gmail.com">gkucukdalyan@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div bgcolor="#FFFFFF"><div>Dear Mohnish,<br></div><div><br></div><div>Thanks a lot for your response. I am trying to prepare an input file for graphene. I just prepared a text file and tried to run it and did not work. I really cannot find detailed explanation about how to prepare an input file. Can you please suggest me any if exist?</div>
<div><br></div><font color="#888888"><div>Gulcin </div></font><div><div></div><div class="h5"><div><br>On Oct 19, 2011, at 10:53 PM, mohnish pandey <<a href="mailto:mohnish.iitk@gmail.com" target="_blank">mohnish.iitk@gmail.com</a>> wrote:<br>
<br></div><div></div><blockquote type="cite"><div>Dear Gulcin !<div><br></div><div>To run an an input file for example an input file of pw.x you should invoke the command for pw.x. /espresso directory/bin/pw.x <<a href="http://abc.scf.in" target="_blank">abc.scf.in</a>> abc.scf.out. In this /espresso directory/ is the address to espresso directory, "<a href="http://abc.scf.in" target="_blank">abc.scf.in</a>" is the name of the QE input file and "abc.scf.out" is the the QE output file. This is the crudest way to run an input file. And next time please mention your affiliation. Hope it helps.</div>
<div> <br><div class="gmail_quote">On Thu, Oct 20, 2011 at 2:22 AM, Gulcin Kucukdalyan <span dir="ltr"><<a href="mailto:gkucukdalyan@gmail.com" target="_blank"></a><a href="mailto:gkucukdalyan@gmail.com" target="_blank">gkucukdalyan@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
HI All,<br><br>Could you please tell me how can i run an input file. It is the second time i am asking this question. Last time i was asked to read tutorials. It is not specified there if i have to prepare a text file or an executable file (run_example) like the ones in the examples. If i have to prepare a text file how can i run it.<br>
<br>Thanks, <br><font color="#888888"><br>Gulcin<br>
</font><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank"></a><a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank"></a><a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey<div>BTech-Mtech, IIT Kanpur<br>Senior Project Associate,<br>
Department of Chemical Engineering,<br>IIT KANPUR, UP, INDIA<br>-----------------------------------------------------------------</div><br>
</div>
</div></blockquote><blockquote type="cite"><div><span>_______________________________________________</span><br><span>Pw_forum mailing list</span><br><span><a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a></span><br>
<span><a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a></span><br></div></blockquote></div></div></div><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br><br clear="all"><div><br></div>-- <br>Regards,<br>MOHNISH,<br>-----------------------------------------------------------------<br>Mohnish Pandey<div>BTech-Mtech, IIT Kanpur<br>Senior Project Associate,<br>
Department of Chemical Engineering,<br>IIT KANPUR, UP, INDIA<br>-----------------------------------------------------------------</div><br>
</div>